ethyl 3-hydroxypropanoate;toluene

C12H18O3 — CID 66729098

IUPACethyl 3-hydroxypropanoate;toluene
SMILESCCOC(=O)CCO.Cc1ccccc1
InChIInChI=1S/C7H8.C5H10O3/c1-7-5-3-2-4-6-7;1-2-8-5(7)3-4-6/h2-6H,1H3;6H,2-4H2,1H3
InChIKeyLWJOKBFXIFQUPR-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.93
Rot. Bonds3

About ethyl 3-hydroxypropanoate;toluene

ethyl 3-hydroxypropanoate;toluene (PubChem CID 66729098) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl 3-hydroxypropanoate;toluene.

Molecular Properties

Compound Nameethyl 3-hydroxypropanoate;toluene
PubChem CID66729098
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethyl 3-hydroxypropanoate;toluene
SMILESCCOC(=O)CCO.Cc1ccccc1
InChIInChI=1S/C7H8.C5H10O3/c1-7-5-3-2-4-6-7;1-2-8-5(7)3-4-6/h2-6H,1H3;6H,2-4H2,1H3
InChIKeyLWJOKBFXIFQUPR-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxypropanoate;toluene?
The IUPAC name of ethyl 3-hydroxypropanoate;toluene (CID 66729098) is ethyl 3-hydroxypropanoate;toluene.
What is the SMILES notation for ethyl 3-hydroxypropanoate;toluene?
The canonical SMILES for ethyl 3-hydroxypropanoate;toluene is CCOC(=O)CCO.Cc1ccccc1.
What is the InChIKey of ethyl 3-hydroxypropanoate;toluene?
The InChIKey is LWJOKBFXIFQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H10O3/c1-7-5-3-2-4-6-7;1-2-8-5(7)3-4-6/h2-6H,1H3;6H,2-4H2,1H3.
What are the key properties of ethyl 3-hydroxypropanoate;toluene?
ethyl 3-hydroxypropanoate;toluene has a molecular weight of 210.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxypropanoate;toluene is sourced from PubChem (CID 66729098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).